1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid

C17H23N3O4 — CID 119907840

IUPAC1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCc1ccc(NC(=O)NC(=O)CN2CCC(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C17H23N3O4/c1-11-3-4-14(12(2)9-11)18-17(24)19-15(21)10-20-7-5-13(6-8-20)16(22)23/h3-4,9,13H,5-8,10H2,1-2H3,(H,22,23)(H2,18,19,21,24)
InChIKeyXRZPZBLBLQGEPA-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.75
Rot. Bonds4

About 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid

1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 119907840) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID119907840
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCc1ccc(NC(=O)NC(=O)CN2CCC(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C17H23N3O4/c1-11-3-4-14(12(2)9-11)18-17(24)19-15(21)10-20-7-5-13(6-8-20)16(22)23/h3-4,9,13H,5-8,10H2,1-2H3,(H,22,23)(H2,18,19,21,24)
InChIKeyXRZPZBLBLQGEPA-UHFFFAOYSA-N
XLogP1.75
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 18083622
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 26666784
N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 9438309
1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121633
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 9362056
ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932030
2-(2,6-dimethylmorpholin-4-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 51170490
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 86928300
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908238
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 8591190
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 16910167
2-[4,7-bis(carboxymethyl)-10-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 58121003

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid (CID 119907840) is 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid is Cc1ccc(NC(=O)NC(=O)CN2CCC(C(=O)O)CC2)c(C)c1.
What is the InChIKey of 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is XRZPZBLBLQGEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-11-3-4-14(12(2)9-11)18-17(24)19-15(21)10-20-7-5-13(6-8-20)16(22)23/h3-4,9,13H,5-8,10H2,1-2H3,(H,22,23)(H2,18,19,21,24).
What are the key properties of 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid?
1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119907840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).